Profile fitting parameters

The usual experimental situation is that of a sessile drop and, as with the pendant drop, it is necessary to determine a shape parameter and some absolute length. Thus /3 may be determined by profile fitting, and Ze measured, where Ze is the distance from the plane at = 90 to the apex. If the drop rests with... 

From the changes in the obtained potential profiles, we evaluated the interaction coefficient P and, compared it with the theoretical calculation of p, we also confirmed that the proposed method could evaluate the interaction force without any fitting parameters, which have usually been required in the typical correlation method. 

Table 5.15. Refinement of the fit parameters used to parameterize the Ce diffusion profile of...

When all the phases present were identified, we can quantify their volume fraction in the analyzed volume similarly to the way the Rietveld-method is used for phase analysis in XRD. A whole profile fitting is used in ProcessDifraction, modeling background and peak-shapes, and fitting the shape parameters, thermal parameters and volume fractions. Since the kinematic approximation is used for calculating the electron diffraction intensities, the grain size of both phases should be below 10 nm (as a rule of... 

The NMRD profile of the protein adduct shows a largely increased relaxivity, with the dispersion moved at about 1 MHz and a relaxivity peak in the high field region. This shape is clearly related to the fact that the field dependent electron relaxation time is now the correlation time for proton relaxation even at low fields. The difference in relaxivities before and after the dispersion is in this case very small, and therefore the profile cannot be well fit with the SBM theory, and the presence of a small static ZFS must be taken into account 103). The best fit parameters obtained with the Florence NMRD program are D = 0.01 cm , A = 0.017 cm , t = 18x10 s, and xji =0.56 X 10 s. Such values are clearly in agreement with those obtained with fast-motion theory 101). 

The obtained "fit point" parameters are now used for the calculation of "final models 1, and the resulting synthetic spectra are compared with the observation as a final check. We restrict the representation (Fig. 1) to the model C, since the corresponding profile fits for the other two mass-loss rates would appear very similar. 

Copper TT comparison of effects occurring at molecular (DNA profiling) and population (ecological fitness parameters including acute and chronic toxicity) levels for Daphnia magna. I (Atienzar et al., 2001)... 

From kinetics studies of unicellular organisms, a set of mathematical expressions have been established to represent the most frequent phenomena in bioprocesses. These phenomena involve a limitation or inhibition of growth and product formation, caused by the presence of substrates, products, or byproducts in culture media. Many of these expressions do not derive from known kinetic mechanisms. In fact, they are simply mathematical expressions with fitted parameters that are able to reproduce experimentally observed kinetic profiles. These equations have been derived and used in many unstructured microbial or cell models. 

Table 2 Fit parameters for the isolated shaperesonances. Parameters obtained from non-linear least-squares fit of Fano-profile to the hydrogen-induced shape-resonance in experimental spectra. Applied experimental width Gaussian, 5 eV.

Calibration and EBIT spectra are fitted with Lorentzian convolved with slit profiles. The width of the Lorentzian and common slit components are free parameters in the fit. For calibration lines the background is negligible and not fitted. Helium-like resonances and the largest satellite are fitted with Lorentzian profiles convolved with slit profiles in addition to a constant background. Fig. 2 shows the result of profile fitting to a helium-like vanadium spectrum. 

The refined values of the parameters are listed under column 2 of Table II, together with the X-ray values. The profile fit, which includes contributions from 176 reflections, is shown in Figure 4, together with the difference plot. The only striking discrepancy between the neutron and X-ray values is in the position of Na(3), which would correspond to a Na-0 near neighbor distance of about 4.7 instead of 2.4A and clearly lacks physical meaning. 

The proton nuclear magnetic relaxation dispersion profiles as well as the l70 temperature dependency were analysed. Best-fit parameters are given in Tables 7.18 and 7.19. 

We note that a figure-of-merit with fixed weighting parameter has been employed previously [85] in structure solution from powder diffraction data, although the figure-of-merit used in that paper differs in several respects from G(T) defined here. The figure-of-merit used in Ref. [85] did not consider normalized energy and normalized R-factor functions, and the R-factor was based on the use of integrated peak intensities rather than a whole-profile fit to the powder diffraction pattern. 

A simple fit of the data with the product of an exponential association and an exponential decay to estimate the escape depth, overestimates the escape depth by folding the positron implantation profile and diffusion into the fitting parameters [30], A more appropriate numerical fitting method based on the diffusion equation was used to take both the implantation profile and diffusion into account [31]. When it is applied to the 3-to-2 photon ratio data suitable absorbing boundary conditions need to be included. The results for the escape depth are shown in Figure 7.8 [30]. In addition to the diffusionlike motion of positronium in connected pores, positrons and positronium diffuse to the pores. 

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